2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H25N3O3S/c1-34-25-13-7-6-12-24(25)30-28(33)22-16-26(29-23-11-5-4-10-21(22)23)35-18-27(32)31-15-14-19-8-2-3-9-20(19)17-31/h2-13,16H,14-15,17-18H2,1H3,(H,30,33)